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9-Fluorenone-2-carboxylic acid structure
9-Fluorenone-2-carboxylic acid structure

9-Fluorenone-2-carboxylic acid

Iupac Name:9-oxofluorene-2-carboxylic acid
CAS No.: 784-50-9
Molecular Weight:224.215
Modify Date.: 2022-11-09 11:33
Introduction: yellow fine powder View more+
1. Names and Identifiers
1.1 Name
9-Fluorenone-2-carboxylic acid
1.2 Synonyms

2-Carboxyfluoren-9-one 9-Fluorenone-2-carboxylic acid,9-Oxo-2-fluorenecarboxylic acid 9-FLUOROENONE-2-CARBOXYLIC ACID 9H-Fluorene-2-carboxylic acid, 9-oxo- 9-Oxo-2-fluorenecarboxyic Acid 9-oxo-2-fluorenecarboxylate 9-Oxo-9H-fluorene-2-carboxylic acid 9-Oxofluorene-2-carboxylic acid Fluorene-2-carboxylic acid, 9-oxo- Fluorenone-2-carboxylic acid NSC 113321 NSC 81258

1.3 CAS No.
784-50-9
1.4 CID
69913
1.5 EINECS(EC#)
212-317-3
1.6 Molecular Formula
C14H8O3 (isomer)
1.7 Inchi
InChI=1S/C14H8O3/c15-13-11-4-2-1-3-9(11)10-6-5-8(14(16)17)7-12(10)13/h1-7H,(H,16,17)
1.8 InChkey
BJCTXUUKONLPPK-UHFFFAOYSA-N
1.9 Canonical Smiles
C1=CC=C2C(=C1)C3=C(C2=O)C=C(C=C3)C(=O)O
1.10 Isomers Smiles
C1=CC=C2C(=C1)C3=C(C2=O)C=C(C=C3)C(=O)O
2. Properties
3.1 Density
1.424
3.1 Melting point
300℃
3.1 Boiling point
476.5 °C at 760 mmHg
3.1 Refractive index
1.5400 (estimate)
3.1 Flash Point
256.1 °C
3.1 Precise Quality
224.04700
3.1 PSA
54.37000
3.1 logP
2.59620
3.1 Appearance
yellow powder.
3.2 Chemical Properties
yellow fine powder
3.3 Color/Form
Yellow
3.4 pKa
3.85±0.20(Predicted)
3.5 Water Solubility
Soluble
3.6 Stability
Stable under normal temperatures and pressures.
3.7 StorageTemp
Keep container closed when not in use. Store in a cool, dry, well-ventilated area away from incompatible substances.
3. Safety and Handling
4.1 Safety Statements
S24/25
4.1 Hazard Class
IRRITANT
4.1 WGK Germany
3
4.1 Safety
Safety Statements:24/25
24/25:Avoid contact with skin and eyes
WGK Germany:3
HazardClass:IRRITANT
4.2 Specification

yellow fine powder
Safety Statements:24/25
24/25:Avoid contact with skin and eyes
4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

8. Computational chemical data
  • Molecular Weight: 224.215g/mol
  • Molecular Formula: C14H8O3
  • Compound Is Canonicalized: True
  • XLogP3-AA: null
  • Exact Mass: 224.047344113
  • Monoisotopic Mass: 224.047344113
  • Complexity: 349
  • Rotatable Bond Count: 1
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Topological Polar Surface Area: 54.4
  • Heavy Atom Count: 17
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count: 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Isotope Atom Count: 0
  • Covalently-Bonded Unit Count: 1
  • CACTVS Substructure Key Fingerprint: AAADccBwMAAAAAAAAAAAAAAAAAAAAYAAAAAwYAAAAAAAAGABQAAAGgAACAAADASAmAAwCIAAAgCIAqDSCAACAAAkAAAIiAEACMgIJjKAFRCAcQAkwAEImYeIzvCuwAACAAAQAACAAAQAACAAAQAACAAAAA==
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